2,3,5,12-tetrabromotetracene

C18H8Br4 — CID 59787236

IUPAC2,3,5,12-tetrabromotetracene
SMILESBrc1cc2c(Br)c3cc4ccccc4cc3c(Br)c2cc1Br
InChIInChI=1S/C18H8Br4/c19-15-7-13-14(8-16(15)20)18(22)12-6-10-4-2-1-3-9(10)5-11(12)17(13)21/h1-8H
InChIKeySVROXHZAWAAYAE-UHFFFAOYSA-N
MW543.88 g/mol
LogP8.20
Rot. Bonds

About 2,3,5,12-tetrabromotetracene

2,3,5,12-tetrabromotetracene (PubChem CID 59787236) has the molecular formula C18H8Br4 and a molecular weight of 543.88 g/mol. Its IUPAC name is 2,3,5,12-tetrabromotetracene.

Molecular Properties

Compound Name2,3,5,12-tetrabromotetracene
PubChem CID59787236
Molecular FormulaC18H8Br4
Molecular Weight543.88 g/mol
Exact Mass539.74
IUPAC Name2,3,5,12-tetrabromotetracene
SMILESBrc1cc2c(Br)c3cc4ccccc4cc3c(Br)c2cc1Br
InChIInChI=1S/C18H8Br4/c19-15-7-13-14(8-16(15)20)18(22)12-6-10-4-2-1-3-9(10)5-11(12)17(13)21/h1-8H
InChIKeySVROXHZAWAAYAE-UHFFFAOYSA-N
XLogP8.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.88
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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CID 102219532
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CID 123634923
3,6-dibromobenzo[b]triphenylene
CID 155269401
hexacyclo[10.10.0.02,11.04,9.014,21.015,20]docosa-1(12),2,4,6,8,10,13,15,17,19,21-undecaene
CID 14063000
6,13-dibromo-2-tetracosylpentacene
CID 162372248
6-bromochrysene
CID 3014563
decacyclo[20.20.0.03,20.05,18.06,11.012,17.024,41.026,39.028,37.030,35]dotetraconta-1(42),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
CID 90817842
4-(10-bromoanthracen-9-yl)benzo[a]anthracene
CID 86676449
1-bromo-10-phenylanthracene;9-bromo-10-phenylanthracene
CID 159641805
1,2-dibromopyranthrene
CID 20551485
7-bromo-5-(7-bromobenzo[a]anthracen-6-yl)benzo[a]anthracene
CID 59412694

Frequently Asked Questions

What is the IUPAC name of 2,3,5,12-tetrabromotetracene?
The IUPAC name of 2,3,5,12-tetrabromotetracene (CID 59787236) is 2,3,5,12-tetrabromotetracene.
What is the SMILES notation for 2,3,5,12-tetrabromotetracene?
The canonical SMILES for 2,3,5,12-tetrabromotetracene is Brc1cc2c(Br)c3cc4ccccc4cc3c(Br)c2cc1Br.
What is the InChIKey of 2,3,5,12-tetrabromotetracene?
The InChIKey is SVROXHZAWAAYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8Br4/c19-15-7-13-14(8-16(15)20)18(22)12-6-10-4-2-1-3-9(10)5-11(12)17(13)21/h1-8H.
What are the key properties of 2,3,5,12-tetrabromotetracene?
2,3,5,12-tetrabromotetracene has a molecular weight of 543.88 g/mol, XLogP of 8.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,12-tetrabromotetracene is sourced from PubChem (CID 59787236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).